N-(2-aminoethyl)-1-ethyl-N-(2-phenylethyl)pyrazole-4-sulfonamide;hydrochloride

C15H23ClN4O2S — CID 120895703

IUPACN-(2-aminoethyl)-1-ethyl-N-(2-phenylethyl)pyrazole-4-sulfonamide;hydrochloride
SMILESCCn1cc(S(=O)(=O)N(CCN)CCc2ccccc2)cn1.Cl
InChIInChI=1S/C15H22N4O2S.ClH/c1-2-18-13-15(12-17-18)22(20,21)19(11-9-16)10-8-14-6-4-3-5-7-14;/h3-7,12-13H,2,8-11,16H2,1H3;1H
InChIKeyWYRQCUAQSSPLEK-UHFFFAOYSA-N
MW358.90 g/mol
LogP1.52
Rot. Bonds8

About N-(2-aminoethyl)-1-ethyl-N-(2-phenylethyl)pyrazole-4-sulfonamide;hydrochloride

N-(2-aminoethyl)-1-ethyl-N-(2-phenylethyl)pyrazole-4-sulfonamide;hydrochloride (PubChem CID 120895703) has the molecular formula C15H23ClN4O2S and a molecular weight of 358.90 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-ethyl-N-(2-phenylethyl)pyrazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-ethyl-N-(2-phenylethyl)pyrazole-4-sulfonamide;hydrochloride
PubChem CID120895703
Molecular FormulaC15H23ClN4O2S
Molecular Weight358.90 g/mol
Exact Mass358.12
IUPAC NameN-(2-aminoethyl)-1-ethyl-N-(2-phenylethyl)pyrazole-4-sulfonamide;hydrochloride
SMILESCCn1cc(S(=O)(=O)N(CCN)CCc2ccccc2)cn1.Cl
InChIInChI=1S/C15H22N4O2S.ClH/c1-2-18-13-15(12-17-18)22(20,21)19(11-9-16)10-8-14-6-4-3-5-7-14;/h3-7,12-13H,2,8-11,16H2,1H3;1H
InChIKeyWYRQCUAQSSPLEK-UHFFFAOYSA-N
XLogP1.52
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.90
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-aminoethyl)-1-ethyl-N-(2-phenylethyl)pyrazole-4-sulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-aminoethyl)-4-(dimethylamino)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895835
N-(2-aminoethyl)-N-(2-phenylethyl)ethanesulfonamide
CID 120895596
N-(2-aminoethyl)-4-(methylsulfonylmethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895305
N-(2-aminoethyl)-4-(methoxymethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895906
4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895597
N'-(diethylsulfamoyl)-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120895421
N-(2-aminoethyl)-1,3-dimethyl-N-(2-phenylethyl)pyrazolo[5,4-b]pyridine-5-sulfonamide;hydrochloride
CID 120895643
N'-benzyl-N'-[(1-ethylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 62127057
N-(2-aminoethyl)-N-(2-phenylethyl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120895425
N-(2-aminoethyl)-N-(2-phenylethyl)-1-propan-2-ylimidazole-4-sulfonamide;hydrochloride
CID 120895629
1-ethyl-N-[2-(4-fluorophenyl)ethyl]-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-4-sulfonamide
CID 29089968
1-(1-ethylpyrazol-4-yl)-N-methyl-N-(2-phenylethyl)ethane-1,2-diamine
CID 103569668

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-ethyl-N-(2-phenylethyl)pyrazole-4-sulfonamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-ethyl-N-(2-phenylethyl)pyrazole-4-sulfonamide;hydrochloride (CID 120895703) is N-(2-aminoethyl)-1-ethyl-N-(2-phenylethyl)pyrazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-ethyl-N-(2-phenylethyl)pyrazole-4-sulfonamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-ethyl-N-(2-phenylethyl)pyrazole-4-sulfonamide;hydrochloride is CCn1cc(S(=O)(=O)N(CCN)CCc2ccccc2)cn1.Cl.
What is the InChIKey of N-(2-aminoethyl)-1-ethyl-N-(2-phenylethyl)pyrazole-4-sulfonamide;hydrochloride?
The InChIKey is WYRQCUAQSSPLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S.ClH/c1-2-18-13-15(12-17-18)22(20,21)19(11-9-16)10-8-14-6-4-3-5-7-14;/h3-7,12-13H,2,8-11,16H2,1H3;1H.
What are the key properties of N-(2-aminoethyl)-1-ethyl-N-(2-phenylethyl)pyrazole-4-sulfonamide;hydrochloride?
N-(2-aminoethyl)-1-ethyl-N-(2-phenylethyl)pyrazole-4-sulfonamide;hydrochloride has a molecular weight of 358.90 g/mol, XLogP of 1.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-ethyl-N-(2-phenylethyl)pyrazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 120895703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).